SCHEMBL28501877

SCHEMBL28501877

CC(O)CNC(=O)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
OGG1 O15527 1/20 0.53
KMT2A Q03164 3/20 0.52
OPRM1 P35372 2/20 0.52
OPRD1 P41143 2/20 0.52
NAMPT P43490 2/20 0.50
HPGD P15428 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MLYCD O95822 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSP90AA1 P07900 2/20 0.47
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
GAA P10253 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21590151 1.00 ALDH1A1 (0.56) ALDH1A1OGG1KMT2AOPRM1OPRD1
SCHEMBL21590324 1.00 ALDH1A1 (0.56) ALDH1A1OGG1KMT2AOPRM1OPRD1
SCHEMBL889069 0.87 MLYCD (0.63) ALDH1A1OGG1KMT2AOPRM1OPRD1
SCHEMBL24386356 0.84 LMNA (0.56) ALDH1A1KMT2ANAMPTHPGDNPC1
SCHEMBL9668334 0.84 MPO (0.52) ALDH1A1KMT2ANAMPTHPGDNPC1
SCHEMBL5800429 0.84 LMNA (0.56) ALDH1A1KMT2ANAMPTHPGDNPC1
SCHEMBL3038615 0.83 ALDH1A1 (0.61) ALDH1A1OGG1KMT2AHPGDNPC1
SCHEMBL15087817 0.82 MEN1 (0.58) ALDH1A1KMT2ANAMPTHPGDNPC1
SCHEMBL19835585 0.82 MEN1 (0.58) ALDH1A1KMT2ANAMPTHPGDNPC1
SCHEMBL17011381 0.82 KDM4E (0.56) ALDH1A1KMT2ANAMPTHPGDNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043324-A Pyrrolo [2,3-b ] pyrazine-based bifunctional compounds as HPK1 degradants and uses thereof 百济神州有限公司 2024-05-14 CN disclosed
CN-112239473-B Process for preparing tricyclic compounds as HPK1 inhibitors 百济神州(北京)生物科技有限公司 2023-12-08 CN disclosed
CN-115073474-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-20 CN disclosed
CN-115028639-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-09-09 CN disclosed
CN-114127067-A Tricyclic compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-03-01 CN disclosed
CN-114096536-A Pyrrolo [2,3-b ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-02-25 CN disclosed
CN-113166139-A Pyrrolo [2,3-b ] pyridines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-07-23 CN disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
CN-112239473-A Tricyclic compounds as HPK1 inhibitors 百济神州(北京)生物科技有限公司 2021-01-19 CN disclosed